SCHEMBL8613795

SCHEMBL8613795

CC(C)(C)OC(=O)NCCc1c[nH]c2ccc([O])cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.55
MTNR1A P48039 9/20 0.54
MTNR1B P49286 7/20 0.53
CYP1A2 P05177 3/20 0.53
NOTUM Q6P988 3/20 0.53
SPR P35270 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
HPGD P15428 2/20 0.53
BLM P54132 2/20 0.53
MAPT P10636 1/20 0.53
IDO1 P14902 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NQO2 P16083 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A1 P04798 1/20 0.53
MPO P05164 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31077788 0.88 TRPV1 (0.70) TRPV1CYP1A2NOTUMSPRKDM4E
SCHEMBL798165 0.88 TRPV1 (0.70) TRPV1CYP1A2NOTUMSPRKDM4E
SCHEMBL2544150 0.87 HPGD (0.55) TRPV1MTNR1AMTNR1BCYP1A2NOTUM
SCHEMBL7318352 0.87 MTNR1A (0.70) TRPV1MTNR1AMTNR1BCYP1A2NOTUM
SCHEMBL8194888 0.87 NOTUM (0.70) TRPV1MTNR1AMTNR1BNOTUMSPR
SCHEMBL6927448 0.86 MTNR1A (0.74) TRPV1MTNR1AMTNR1BCYP1A2NOTUM
SCHEMBL8807970 0.86 HTR7 (0.57) TRPV1MTNR1AMTNR1BCYP1A2NOTUM
SCHEMBL8806792 0.86 TRPV1 (0.53) TRPV1MTNR1AMTNR1BCYP1A2NOTUM
SCHEMBL8807001 0.85 TRPV1 (0.53) TRPV1MTNR1AMTNR1BCYP1A2NOTUM
Trimethylammonium SCHEMBL8321230 0.85 MTNR1A (0.65) TRPV1MTNR1AMTNR1BCYP1A2NOTUM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852049-A Aromatic ethers derived from indoles which are useful as medicaments PIERRE FABRE MEDICAMENT (FR) 1998-12-22 US disclosed